⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21597898 | 0.97 | — | — | |
| SCHEMBL7525656 | 0.84 | CYP2D6 (0.41) | — | |
| SCHEMBL18074389 | 0.79 | CYP2D6 (0.38) | — | |
| SCHEMBL4790427 | 0.77 | — | — | |
| SCHEMBL24892693 | 0.74 | — | — | |
| SCHEMBL15109899 | 0.74 | TDP1 (0.37) | — | |
| SCHEMBL6421430 | 0.74 | — | — | |
| SCHEMBL6421425 | 0.74 | — | — | |
| SCHEMBL8379073 | 0.73 | — | — | |
| SCHEMBL23170304 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11862446-B2 | Functionalized calibrants for spectrometry and chromatography | POLYMER FACTORY SWEDEN AB (SE) | 2024-01-02 | — | — | US | disclosed |
| CN-106457120-B | Synergistic chemisorption of acid gases in functionalized metal-organic frameworks | 加利福尼亚大学董事会 | 2021-04-27 | — | — | CN | disclosed |
| WO-2017120355-A1 | DIHYDROQUINOLINES AND USES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2017-07-13 | — | — | WO | disclosed |
| WO-2017072341-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-05-04 | — | — | WO | disclosed |
| EP-1888584-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | Brystol-Myers Squibb Company (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122137-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |